2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine

C41H17F10N3 — CID 174244258

IUPAC2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccc4cc(-c5cccc(-c6cccc7ccccc67)c5)ccc4c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C41H17F10N3/c42-29-27(30(43)34(47)37(50)33(29)46)40-52-39(53-41(54-40)28-31(44)35(48)38(51)36(49)32(28)45)24-14-13-21-15-20(11-12-22(21)17-24)19-7-3-8-23(16-19)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H
InChIKeyVDDQEHWPPMXJSR-UHFFFAOYSA-N
MW741.59 g/mol
LogP11.90
Rot. Bonds5

About 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine

2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine (PubChem CID 174244258) has the molecular formula C41H17F10N3 and a molecular weight of 741.59 g/mol. Its IUPAC name is 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
PubChem CID174244258
Molecular FormulaC41H17F10N3
Molecular Weight741.59 g/mol
Exact Mass741.13
IUPAC Name2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
SMILESFc1c(F)c(F)c(-c2nc(-c3ccc4cc(-c5cccc(-c6cccc7ccccc67)c5)ccc4c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
InChIInChI=1S/C41H17F10N3/c42-29-27(30(43)34(47)37(50)33(29)46)40-52-39(53-41(54-40)28-31(44)35(48)38(51)36(49)32(28)45)24-14-13-21-15-20(11-12-22(21)17-24)19-7-3-8-23(16-19)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H
InChIKeyVDDQEHWPPMXJSR-UHFFFAOYSA-N
XLogP11.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.59
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dinaphthalen-2-yl-6-(6-naphthalen-1-ylnaphthalen-2-yl)-1,3,5-triazine
CID 164745897
2-(3-naphthalen-1-ylphenyl)-4-(5-phenylnaphthalen-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166022163
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169302485
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177076826
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2,4,6-tris[3-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine;2,4,6-tris[4-(4-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazine
CID 158833777
trimethyl-[4-[4-naphthalen-2-yl-6-[3-(3-naphthalen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 176645495
2-naphthalen-1-yl-4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 165098602
2-naphthalen-1-yl-4-(4-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180017
2-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-(5-phenylnaphthalen-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 169302511

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The IUPAC name of 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine (CID 174244258) is 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The canonical SMILES for 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine is Fc1c(F)c(F)c(-c2nc(-c3ccc4cc(-c5cccc(-c6cccc7ccccc67)c5)ccc4c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.
What is the InChIKey of 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
The InChIKey is VDDQEHWPPMXJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H17F10N3/c42-29-27(30(43)34(47)37(50)33(29)46)40-52-39(53-41(54-40)28-31(44)35(48)38(51)36(49)32(28)45)24-14-13-21-15-20(11-12-22(21)17-24)19-7-3-8-23(16-19)26-10-4-6-18-5-1-2-9-25(18)26/h1-17H.
What are the key properties of 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine?
2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine has a molecular weight of 741.59 g/mol, XLogP of 11.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine is sourced from PubChem (CID 174244258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).